2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone

C13H20N4O — CID 121019053

IUPAC2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H20N4O/c18-13(9-11-3-1-2-4-11)16-8-5-12(10-16)17-14-6-7-15-17/h6-7,11-12H,1-5,8-10H2
InChIKeyNWWVCOWVNAZPLQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds3

About 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 121019053) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID121019053
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H20N4O/c18-13(9-11-3-1-2-4-11)16-8-5-12(10-16)17-14-6-7-15-17/h6-7,11-12H,1-5,8-10H2
InChIKeyNWWVCOWVNAZPLQ-UHFFFAOYSA-N
XLogP1.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone (CID 121019053) is 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(n2nccn2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NWWVCOWVNAZPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(9-11-3-1-2-4-11)16-8-5-12(10-16)17-14-6-7-15-17/h6-7,11-12H,1-5,8-10H2.
What are the key properties of 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121019053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).